Two Test Sets of PDB Entries and Full Molecular Replacement Results with AF-Guided MR

The attached files are compressed archive containing two sets of PDB entries, employed for benchmarking the AF-guided MR workflow, which is specifically tailored for molecular replacement in complex cases. These two archives include full and raw results for each entry featured in the article "AlphaFold-guided molecular replacement for solving challenging crystal structures", which correspond to Supplemental Tables 2 and 3. These datasets, ending in .xz, were compressed using xz-utils on an Ubuntu system and can be decompressed e.g. with the command 'tar -xvf set1.xz'. Each entry folder contains log files that document the complete workflow events. Additionally, there is a RESULT.MD file in each folder that identifies the specific solution applicable to entries for more intricate scenarios.